1-(4-Chlorophenyl)-2-(methylsulfanyl)ethan-1-one

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-2-(methylsulfanyl)ethan-1-one
• CAS No.: 24437-53-4
• Molecular Formula: C9H9ClOS
• Molecular Weight: 200.689
• DSSTox Substance ID: DTXSID00559543
• Nikkaji Number: J2.693.985B
• Wikidata: Q82442291
• Mol file: 24437-53-4.mol

Synonyms:1-(4-Chlorophenyl)-2-(methylsulfanyl)ethan-1-one;24437-53-4;SCHEMBL2220646;DTXSID00559543;UBAWNJNGYAHXFA-UHFFFAOYSA-N;2-methylthio-4'-chloroacetophenone;AKOS010251491;1-(4-chlorophenyl)-2-(methylthio)ethanone;EN300-394611

Chemical Property of 1-(4-Chlorophenyl)-2-(methylsulfanyl)ethan-1-one

Chemical Property:

• PSA: 42.37000
• LogP: 2.88570
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.0062638
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCC(=O)C1=CC=C(C=C1)Cl

Technology Process of 1-(4-Chlorophenyl)-2-(methylsulfanyl)ethan-1-one

There total 7 articles about 1-(4-Chlorophenyl)-2-(methylsulfanyl)ethan-1-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

→ 1-(4-chlorophenyl)-2-methylthio ethanone (24437-53-4)

Guidance literature:

Reference yield: 80.0%

ω-(Methylthio)-ω-(methylsulfinyl)-p-chloroacetophenone (52922-71-1) → 1-(4-chlorophenyl)-2-methylthio ethanone (24437-53-4)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; benzoic acid; In acetonitrile; -1.68 V potential electrolyses;

DOI:10.1246/bcsj.62.2055

Reference yield: 72.0%

4-chlorobenzoylmethyl bromide (536-38-9) + sodium thiomethoxide (5188-07-8) → 1-(4-chlorophenyl)-2-methylthio ethanone (24437-53-4)

Guidance literature:

In methanol; at 20 ℃; for 0.25h; Inert atmosphere;

DOI:10.1002/ejoc.201201422

upstream raw materials:

(methylthio)acetyl chloride

chlorobenzene

ω-(Methylthio)-ω-(methylsulfinyl)-p-chloroacetophenone

1-(4-chlorophenyl)-2-diazoethanone

Downstream raw materials:

C₁₃H₁₈ClO₄PS

((4-chlorophenyl)ethynyl)(methyl)sulfane

2-tert-butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methylsulfonyl)-1H-pyrazol-3-yl)-1,3,4-oxadiazole

2-tert-butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methylsulfinyl)-1H-pyrazol-3-yl)-1,3,4-thiadiazole